Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM200749
Substrate
n/a
Meas. Tech.
Muscarinic Receptor Binding Assay
IC50
0.5±n/a nM
Citation
 Aiguade Bosch, J; Gual Roig, S; Prat Quinones, M; Puig Duran, C Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities US Patent  US9233108 Publication Date 1/12/2016 
Target
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_HUMAN | CHRM3 | Cholinergic, muscarinic M3 | Muscarinic Receptors M3 | Muscarinic receptor M3 | RecName: Full=Muscarinic acetylcholine receptor M3
Type:
Enzyme
Mol. Mass.:
66151.03
Organism:
Homo sapiens (Human)
Description:
P20309
Residue:
590
Sequence:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
  
Inhibitor
Name:
BDBM200749
Synonyms:
US9233108, 11 | US9757383, Example 11
Type:
Small organic molecule
Emp. Form.:
C39H42N4O7S3
Mol. Mass.:
774.968
SMILES:
CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2sc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:35.42,wD:13.13,32.35,(1.12,5.55,;2.62,5.23,;3.1,3.77,;2.07,2.62,;2.54,1.16,;1.51,.02,;1.83,-1.49,;3.17,-2.26,;3.17,-3.8,;1.83,-4.57,;1.83,-6.11,;3.17,-6.88,;3.17,-8.42,;4.5,-9.19,;5.84,-8.42,;4.5,-10.73,;3.17,-11.5,;3.17,-13.04,;4.5,-13.81,;4.5,-15.35,;5.84,-13.04,;7.17,-13.81,;8.5,-13.04,;9.84,-13.81,;8.5,-11.5,;7.17,-10.73,;5.84,-11.5,;.5,-3.8,;.5,-2.26,;-.64,-1.23,;-.02,.18,;-.79,1.51,;3.65,6.38,;5.16,6.06,;6.19,7.2,;5.71,8.67,;4.21,8.99,;3.18,7.84,;6.75,9.81,;6.27,11.28,;4.76,11.6,;7.3,12.42,;8.44,11.39,;8.33,13.56,;8.01,15.07,;9.34,15.84,;10.49,14.81,;9.86,13.4,;6.16,13.45,;4.65,13.13,;3.88,14.46,;4.91,15.61,;6.32,14.98,)|
Structure:
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